2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C16H19FN2O2 — CID 166285790

IUPAC2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(C)(C)C1CC2(C1)NC(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H19FN2O2/c1-15(2,3)10-8-16(9-10)13(20)19(14(21)18-16)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21)
InChIKeyGJVKOCQOJHLJIC-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.08
Rot. Bonds1

About 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione

2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 166285790) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID166285790
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCC(C)(C)C1CC2(C1)NC(=O)N(c1ccc(F)cc1)C2=O
InChIInChI=1S/C16H19FN2O2/c1-15(2,3)10-8-16(9-10)13(20)19(14(21)18-16)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21)
InChIKeyGJVKOCQOJHLJIC-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 166285790) is 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione is CC(C)(C)C1CC2(C1)NC(=O)N(c1ccc(F)cc1)C2=O.
What is the InChIKey of 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is GJVKOCQOJHLJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-15(2,3)10-8-16(9-10)13(20)19(14(21)18-16)12-6-4-11(17)5-7-12/h4-7,10H,8-9H2,1-3H3,(H,18,21).
What are the key properties of 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 290.34 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 166285790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).